Crystallography Open Database
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Searching space group like 'I 1 2/m 1'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1541776 | CIF | C3 H7 Cl N6 | I 1 2/m 1 | 8.5287; 17.0442; 9.1844 90; 92.165; 90 | 1334.14 | Jing, H.-P.; Stroebele, M.; Weisser, M.; Meyer, H.J. Die Kristallstruktur von wasserfreiem Melaminiumchlorid Zeitschrift fuer Anorganische und Allgemeine Chemie, 2003, 629, 368-370 |
| 1544360 | CIF | In O6 Sr2 Ta | I 1 2/m 1 | 5.7764; 5.776; 8.1566 90; 90.09; 90 | 272.14 | Zhou, Q.; Kennedy, B.J.; Avdeev, M. Crystal struture and phase transitions in Sr2InTaO6 sample: 600 ?C Physics and Chemistry of Minerals, 2013, 40, 603-610 |
| 1544721 | CIF | Ba0.08 Fe0.15 K1.21 Mn7.85 Na0.44 O16 | I 1 2/m 1 | 9.907; 2.865; 9.676 90; 90.52; 90 | 274.6 | Kubo, H.; Miura, H.; Hariya, Y. Tetragonal-monoclinic transformation of cryptomelane at high temperature Mineralogical Journal, 1990, 15, 50-63 |
| 1550680 | CIF | C138 H202 F19 N6 O18 S6 | I 1 2/m 1 | 18.9188; 10.3807; 35.7997 90; 97.509; 90 | 6970.4 | Mandal, Debdeep; Sobottka, Sebastian; Dolai, Ramapada; Maiti, Avijit; Dhara, Debabrata; Kalita, Pankaj; Narayanan, Ramakirushnan Surya; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul Direct Access to 2-Aryl Substituted Pyrrolinium Salts for Carbon Centre Based Radicals without Pyrrolidine-2-Ylidene alias cyclic(Alkyl)(Amino)Carbene (CAAC) as a Precursor Chemical Science, 2019 |
| 1551545 | CIF | C246 H126 Co6 N8 P6 Te8 | I 1 2/m 1 | 26.5695; 17.056; 21.1219 90; 104.26; 90 | 9276.9 | Evan S. O'Brien; M. Tuan Trinh; Rose L. Kann; Jia Chen; Giselle A. Elbaz; Amrita Masurkar; Timothy L. Atallah; Maria V. Paley; Nilam Patel; Daniel W. Paley; Ioannis Kymissis; Andrew C. Crowther; Andrew J. Millis; David R. Reichman; X.-Y. Zhu; Xavier Roy Single-crystal-to-single-crystal intercalation of a low-bandgap superatomic crystal Nature Chemistry, 2017, 9, 1170-1174 |
| 1557509 | CIF | C53 H31 Cu2 N O12 | I 1 2/m 1 | 25.8186; 22.6806; 27.2079 90; 109.69; 90 | 15000.9 | Bloch, Witold M.; Babarao, Ravichandar; Schneider, Matthew L. On/off porosity switching and post-assembly modifications of Cu4L4 metal‒organic polyhedra Chemical Science, 2020, 11, 3664-3671 |
| 1559160 | CIF | C12.8 H10 Fe N10 O0.4 Pt | I 1 2/m 1 | 14.8483; 7.1717; 15.88 90; 92.699; 90 | 1689.1 | Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates Chemical Science, 2020 |
| 1559162 | CIF | C12.8 H10 Fe N10 O0.4 Pt | I 1 2/m 1 | 14.9798; 7.3662; 16.181 90; 91.922; 90 | 1784.5 | Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates Chemical Science, 2020 |
| 1560371 | CIF | C9 H15 B F4 N6 | I 1 2/m 1 | 10.535; 6.4885; 18.7172 90; 92.323; 90 | 1278.39 | Stubbe, Jessica; Suhr, Simon; Beerhues, Julia; Nößler, Maite; Sarkar, Biprajit The transformations of a methylene-bridged bis-triazolium salt: a mesoionic carbene based metallocage and analogues of TCNE and NacNac Chemical Science, 2021, 12, 3170-3178 |
| 1561443 | CIF | C60 H90 Al6 Cu7.33 | I 1 2/m 1 | 12.9999; 17.2545; 16.5285 90; 97.741; 90 | 3673.7 | Schütz, Max; Gemel, Christian; Muhr, Maximilian; Jandl, Christian; Kahlal, Samia; Saillard, Jean-Yves; Fischer, Roland A. Exploring Cu/Al cluster growth and reactivity: from embryonic building blocks to intermetalloid, open-shell superatoms. Chemical science, 2021, 12, 6588-6599 |
| 1562683 | CIF HKL | C30 H38 Cu2 N4 O19 | I 1 2/m 1 | 8.8717; 18.8801; 9.9362 90; 100.916; 90 | 1634.19 | Nour Dissem; Prabhjyot Kaur; Love Karan Rana; Thierry Maris; Adam Duong Synthesis, characterization and Hirshfeld surface analysis of a mixed-ligand copper (II) coordination polymer from 1,4,8,11-tetraazacyclotetradecane and pyromellitic dianhydride Transition Metal Chemistry, 2021, 46, 283-290 |
| 1565706 | CIF | C18 H18 Cl2 Cu N12 O9 | I 1 2/m 1 | 15.599; 10.704; 21.315 90; 105; 90 | 3438 | Hua, Zi-Yi; Chen, Chen; Zhou, Fu-Hou; Zhang, Hao; Zhu, Zhao Qiang; Ge, Wei-Wei; Chen, Kai Anion control in the complexation of cucurbit[6]uril with Cu(II) salts Inorganica Chimica Acta, 2020, 499, 119183 |
| 1567307 | CIF | C46 H64 N2 O2 | I 1 2/m 1 | 13.809; 8.7376; 17.19 90; 99.585; 90 | 2045.1 | Reid, Amelia G.; Moreno, Juan J.; Hooe, Shelby L.; Baugh, Kira R.; Thomas, Isobel H.; Dickie, Diane A.; Machan, Charles W. Inverse potential scaling in co-electrocatalytic activity for CO2 reduction through redox mediator tuning and catalyst design Chemical Science, 2022, 13, 9595-9606 |
| 1568589 | CIF | Cl2 H12 Ni O6 | I 1 2/m 1 | 6.5628; 7.033; 8.7326 90; 96.723; 90 | 400.29 | Boeré, René T. Crystal Structures of CuCl2·2H2O (Eriochalcite) and NiCl2∙6H2O (Nickelbischofite) at Low Temperature: Full Refinement of Hydrogen Atoms Using Non-Spherical Atomic Scattering Factors Crystals, 2023, 13, 293 |
| 1568590 | CIF | Cl2 H12 Ni O6 | I 1 2/m 1 | 6.5579; 7.0244; 8.7291 90; 96.702; 90 | 399.36 | Boeré, René T. Crystal Structures of CuCl2·2H2O (Eriochalcite) and NiCl2∙6H2O (Nickelbischofite) at Low Temperature: Full Refinement of Hydrogen Atoms Using Non-Spherical Atomic Scattering Factors Crystals, 2023, 13, 293 |
| 1571152 | CIF | C26 H42 Cl2 N2 Si2 | I 1 2/m 1 | 10.53; 10.929; 12.931 90; 96.525; 90 | 1478.5 | Hüßler, Christopher; Dietl, Martin C.; Kahle, Justin; Lopes, Eric F.; Kawamura, Miku; Krämer, Petra; Rominger, Frank; Rudolph, Matthias; Hachiya, Iwao; Hashmi, A Stephen K Synthesis and structural properties of <i>para</i>-diselenopyrazines. Chemical communications (Cambridge, England), 2024, 60, 3786-3789 |
| 1572374 | CIF | C2 H9 N3 O3 S | I 1 2/m 1 | 10.0029; 7.3514; 10.4776 90; 102.8; 90 | 751.33 | Li, Yang; Chen, Xinglong; Ok, Kang Min Strategically designed metal-free deep-ultraviolet birefringent crystals with superior optical properties. Chemical science, 2024, 15, 15145-15151 |
| 1572636 | CIF | C240 H172 Cl8 N12 | I 1 2/m 1 | 20.1388; 53.4956; 31.8306 90; 106.792; 90 | 32830.1 | Stawski, Wojciech; Anderson, Harry L. Polymorphism and flexibility of six-porphyrin nanorings in the solid state. Chemical science, 2024, 15, 16938-16946 |
| 1572938 | CIF | C122 H113 B3 F12 N43 Pd2 | I 1 2/m 1 | 16.859; 23.453; 17.529 90; 90.35; 90 | 6931 | Virtue, Jemma I.; Tsoukatos, Steven; Johnston, Martin R.; Bloch, Witold M. Halide-triggered assembly and selective bisulfate recognition in a quadruply interlocked coordination cage. Chemical science, 2024, 15, 19119-19125 |
| 2004763 | CIF Paper | C12 H24 Hg I2 O6 | I 1 2/m 1 | 9.236; 11.236; 9.283 90; 90.44; 90 | 963.3 | El Essawi, M.; Abd El Khalik, S.; Tebbe, K.-F. Verfeinerung von Quecksilberdiiodid-(18-Krone-6), Hg(18-krone-6)I~2~ Acta Crystallographica Section C, 1996, 52, 818-820 |
| 2011341 | CIF HKL Paper | C16 H24 Cl2 N2 O4 | I 1 2/m 1 | 11.255; 6.865; 11.953 90; 104.15; 90 | 895.5 | Košutić-Hulita, Nada; Danilovski, Aleksandar; Malešević, Miroslav; Orešić, Marina; Dumić, Miljenko 2,8-Dihydroxy-1,3,7,9-tetramethyl-6,12-dihydrodipyrido[1,2-<i>a</i>:1',2'-<i>d</i>]pyrazinediylium dichloride dihydrate Acta Crystallographica Section C, 2000, 56, 1144-1145 |
| 2014172 | CIF Paper | C16 H40 Cl6 N2 Pd2 | I 1 2/m 1 | 8.7249; 12.238; 13.062 90; 91.973; 90 | 1393.9 | Fábry, Jan; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila; Vaněk, Přemysl; Němec, Ivan Two phases of bis(tetraethylammonium) di-μ-chloro-bis[dichloropalladium(II)] Acta Crystallographica Section C, 2004, 60, m426-m430 |
| 2020150 | CIF | Ga10 Ge O20 Pb3 | I 1 2/m 1 | 14.751; 11.695; 5.106 90; 90.23; 90 | 880.844 | Cadee, M.C.; Verschoor, G.C.; Ijdo, D.J.W. Structures of Pb3 Ge Ga10 O20 and Ba3 Sn Fe10 O20 Acta Crystallographica C (39,1983-), 1983, 39, 921-925 |
| 2020151 | CIF | Ba3 Fe10 O20 Sn | I 1 2/m 1 | 15.443; 11.9068; 5.2473 90; 90.945; 90 | 964.725 | Cadee, M.C.; Verschoor, G.C.; Ijdo, D.J.W. Structures of Pb3 Ge Ga10 O20 and Ba3 Sn Fe10 O20 Acta Crystallographica C (39,1983-), 1983, 39, 921-925 |
| 2020376 | CIF | Pb4 S13 Sb6 | I 1 2/m 1 | 23.698; 3.98; 24.466 90; 93.9; 90 | 2302.24 | Skowron, A.; Brown, I.D. Refinement of the structure of robinsonite, Pb4 Sb6 S13 Acta Crystallographica C (39,1983-), 1990, 46, 527-531 |
| 2100570 | CIF Paper | Ba Bi O3 | I 1 2/m 1 | 6.18505; 6.13219; 8.65846 90; 90.2288; 90 | 328.395 | Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~ Acta Crystallographica Section B, 2006, 62, 537-546 |
| 2100573 | CIF Paper | Ba2 Bi O6 Sb | I 1 2/m 1 | 6.06777; 6.01862; 8.50818 90; 90.2161; 90 | 310.713 | Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~ Acta Crystallographica Section B, 2006, 62, 537-546 |
| 2102519 | CIF Paper | C14 H24 Fe N2 O8 | I 1 2/m 1 | 11.78; 9.734; 8.401 90; 104.05; 90 | 934.5 | Prof. Clemente Dore Augusto; Prof. Marzotto Armando 30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum Acta Crystallographica Section B, 2004, 60, 287-292 |
| 2103798 | CIF Paper | C8 H12 S8 Tc2 | I 1 2/m 1 | 11.361; 8.303; 8.987 90; 95.25; 90 | 844.2 | Clemente, Dore Augusto; Marzotto, Armando 22 Space-group changes Acta Crystallographica Section B, 2003, 59, 43-50 |
| 2104994 | CIF HKL Paper | C10 H36 N2 Ni O19 | I 1 2/m 1 | 12.37; 12.57; 8.114 90; 101.48; 90 | 1236.4 | Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K Acta Crystallographica Section B, 2011, 67, 486-498 |
| 2105020 | CIF HKL Paper | C10 H36 N2 Ni O19 | I 1 2/m 1 | 12.37; 12.57; 8.114 90; 101.48; 90 | 1236.4 | Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K Acta Crystallographica Section B, 2011, 67, 486-498 |
| 2105021 | CIF HKL Paper | C10 H36 N2 Ni O19 | I 1 2/m 1 | 12.379; 12.558; 8.12 90; 101.68; 90 | 1236.2 | Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K Acta Crystallographica Section B, 2011, 67, 486-498 |
| 2105964 | CIF | C2 H2 Ca O5 | I 1 2/m 1 | 9.978; 7.295; 6.292 90; 107.07; 90 | 437.82 | Deganello, S The Structure of Whewellite, CaC~2~O~4~ . H~2~O, at 328 K Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry, 1981, 37, 826-829 |
| 2106074 | CIF | Ag3 H2 O10 P3 | I 1 2/m 1 | 9.326; 10.925; 9.276 90; 106.5; 90 | 906.18 | Baur, W.H.; Tillmanns, E. How to avoid unneccessarily low symmetry in crystal structure determinations Acta Crystallographica B (39,1983-), 1986, 42, 95-111 |
| 2106452 | CIF | Ba2 Bi2 O6 | I 1 2/m 1 | 6.1736; 6.1237; 8.6507 90; 90.29; 90 | 327.038 | Thornton, G.; Jacobson, A.J. A neutron diffraction determination of the structures of Ba2 Sb(V) Bi(III) O6 and Ba2 Bi(V) Bi(III) O6 Acta Crystallographica B (24,1968-38,1982), 1978, 34, 351-354 |
| 2106560 | CIF | Ba0.159 Bi0.841 O2.5 Ti | I 1 2/m 1 | 10.6914; 3.7963; 3.3457 90; 92.625; 90 | 135.652 | Michiue, Y.; Yamamoto, A.; Onoda, M.; Yamane, H.; Akashi, T.; Sato, A.; Goto, T. Incommensurate crystallographic shear structure of Ba(x) Bi(2-2x) Ti(4-x) O(11-4x) (x = 0.275) Acta Crystallographica B (39,1983-), 2005, 61, 145-153 |
| 2107011 | CIF | S13 Sb6 Sn4 | I 1 2/m 1 | 24.31; 3.915; 23.49 90; 94.05; 90 | 2230.05 | Jumas, J.C.; Olivier-Fourcade, J.; Philippot, E.; Maurin, M. Sur le systeme Sn S - Sb2 S3: Etude structurale de Sn4 Sb6 S13 Acta Crystallographica B (24,1968-38,1982), 1980, 36, 2940-2945 |
| 2107129 | CIF | C H4 Ca7 O23 Si6 | I 1 2/m 1 | 10.118; 15.187; 6.626 90; 100.4; 90 | 1001.44 | Pluth, J.J.; Smith, J.V. The crystal structure of scawtite, Ca7 Si6 O18 C O3 (H2 O)2 Acta Crystallographica B (24,1968-38,1982), 1973, 29, 73-80 |
| 2107130 | CIF | Al0.2 Ba0.68 Fe1.3 H Mn6.5 O16.5 Pb0.3 | I 1 2/m 1 | 10.026; 2.8782; 9.729 90; 91.03; 90 | 280.703 | Post, J.E.; Buseck, P.R.; von Dreele, R.B. Symmetry and Cation Displacements in Hollandites: Structure Refinements of Hollandite, Cryptomelane and Priderite Acta Crystallographica B (24,1968-38,1982), 1982, 38, 1056-1065 |
| 2107227 | CIF | Ba1.14 Mg1.14 O16 Ti6.86 | I 1 2/m 1 | 10.1816; 2.9733; 10.0268 90; 90.489; 90 | 303.53 | Cheary, R.W.; Squadrito, R. A structural analysis of barium magnesium hollandites Acta Crystallographica B (39,1983-), 1989, 45, 205-212 |
| 2107229 | CIF | Ba1.33 Mg1.33 O16 Ti6.67 | I 1 2/m 1 | 10.2609; 2.98052; 9.9212 90; 91.072; 90 | 303.365 | Cheary, R.W.; Squadrito, R. A structural analysis of barium magnesium hollandites Acta Crystallographica B (39,1983-), 1989, 45, 205-212 |
| 2206238 | CIF Paper | C21 H14 N6 | I 1 2/m 1 | 11.46; 13.094; 13.563 90; 114.22; 90 | 1856 | Conway, Shane P.; Pratt, Albert C.; Long, Conor; Howie, R. Alan Benzylammonium 2,4-bis(dicyanomethylene)-2,3-dihydroisoindolide Acta Crystallographica Section E, 2005, 61, o2258-o2260 |
| 2206809 | CIF HKL Paper | Au2 I6 Rb2 | I 1 2/m 1 | 8.725; 7.932; 11.969 90; 99.53; 90 | 816.9 | Matsushita, Nobuyuki; Tanaka, Atsushi; Kojima, Norimichi A three-dimensional iodo-bridged mixed-valence gold(I,III) compound, Rb~2~[Au^I^I~2~][Au^III^I~4~] Acta Crystallographica Section E, 2005, 61, i201-i203 |
| 2212533 | CIF HKL Paper | C10 H10 Cl4 N2 Pd | I 1 2/m 1 | 6.718; 11.754; 8.015 90; 90.649; 90 | 632.9 | Valdés-Martínez, Jesús; Toscano, Rubén A.; Germán-Acacio, Juan Manuel 4,4'-Bipyridinium tetrachloridopalladate(II) Acta Crystallographica Section E, 2007, 63, m870-m871 |
| 2240371 | CIF Paper | C8 H54 Mn2 N2 O43 V10 | I 1 2/m 1 | 13.2434; 9.6402; 17.7628 90; 98.626; 90 | 2242.1 | Franco, Maurício P.; Rüdiger, André Luis; Soares, Jaísa F.; Nunes, Giovana G.; Hughes, David L. Crystal structures of two decavanadates(V) with pentaaquamanganese(II) pendant groups: (NMe~4~)~2~[V~10~O~28~{Mn(H~2~O)~5~}~2~]·5H~2~O and [NH~3~C(CH~2~OH)~3~]~2~[V~10~O~28~{Mn(H~2~O)~5~}~2~]·2H~2~O Acta Crystallographica Section E, 2015, 71, 146-150 |
| 2310453 | CIF | Cl2 H4 Ni O2 | I 1 2/m 1 | 6.9093; 6.8858; 8.8298 90; 92.246; 90 | 419.764 | Morosin, B. An X-ray diffraction study on nickel(II) chloride dihydrate Acta Crystallographica (1,1948-23,1967), 1967, 23, 630-634 |
| 2310780 | CIF Paper | Bi0.097 Fe1.049 O2.585 Pb0.856 | I 1 2/m 1 | 3.93492; 3.93193; 4.00171 90; 92.603; 90 | 61.85 | Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke Synergy between transmission electron microscopy and powder diffraction: application to modulated structures. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 127-143 |
| 2310781 | CIF Paper | Bi0.195 Fe1.046 O2.633 Pb0.763 | I 1 2/m 1 | 3.92822; 3.92661; 4.05202 90; 92.209; 90 | 62.454 | Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke Synergy between transmission electron microscopy and powder diffraction: application to modulated structures. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 127-143 |
| 2310782 | CIF Paper | Bi0.292 Fe1.042 O2.675 Pb0.671 | I 1 2/m 1 | 3.92131; 3.91951; 4.09255 90; 91.913; 90 | 62.866 | Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke Synergy between transmission electron microscopy and powder diffraction: application to modulated structures. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 127-143 |
| 2310783 | CIF Paper | Bi0.428 Fe1.034 O2.736 Pb0.541 | I 1 2/m 1 | 3.9146; 3.91271; 4.13775 90; 91.554; 90 | 63.353 | Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke Synergy between transmission electron microscopy and powder diffraction: application to modulated structures. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 127-143 |
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